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3-Oxabicyclo[3.2.0]heptane-2,4-dione

3-Oxabicyclo[3.2.0]heptane-2,4-dione structure

CAS No:
4462-96-8
Formula:
C6H6O3
Chemical Name:
3-Oxabicyclo[3.2.0]heptane-2,4-dione
Synonyms:
3-Oxabicyclo[3.2.0]heptane-2,4-dione;1,2-Cyclobutanedicarboxylic anhydride;1,2-Cyclobutanedicarboxylic acid anhydride;cis-1,2-Cyclobutanedicarboxylic anhydride;NSC 119923;NSC 134999;NSC 148995;118554-23-7;7687-27-6
Categories:
Chemical Reagents > Organic Reagents

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3-Oxabicyclo[3.2.0]heptane-2,4-dione Basic Attributes

Molecular Weight：

126.11

Exact Mass：

126.11

NSC Number：

148995|134999|119923

HScode：

2917209090

Characteristics

PSA：

43.37000

XLogP3：

-0.89

Density：

1.4±0.1 g/cm3

Melting Point：

77-78 °C

Boiling Point：

90-100 °C @ Press: 0.5 Torr

Flash Point：

139.4±15.9 °C

Refractive Index：

1.530

Safety Information

hazard class code：

36/37/38

safety instructions：

26-37/39

Marks：

Hazard note：

Irritant

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 20 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:126.11
XLogP3:0.1
Hydrogen Bond Acceptor Count:3
Exact Mass:126.031694049
Monoisotopic Mass:126.031694049
Topological Polar Surface Area:43.4
Heavy Atom Count:9
Complexity:165
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Oxabicyclo[3.2.0]heptane-2,4-dione

Basic Attributes
Characteristics
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Computed Properties
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